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Re: [Bkchem-user] OASA, missing atoms in periodic_table.py

From: OC
Subject: Re: [Bkchem-user] OASA, missing atoms in periodic_table.py
Date: Sat, 03 Apr 2010 15:57:17 +0200
User-agent: Mozilla-Thunderbird (X11/20090706)

Loic d'Anterroches wrote:
just a small request, Neodymium[1] is missing from periodic_table.py and
I do not understand the format of the periodic_table dictionnary to add
it. If I can get some details about the "en", "els" and "valency" keys,
then I can add the missing components. I have a database of about 50k
molecules and when drawing them, the molecules with atoms not in the
periodic_table are failing.
I'm not a chemist, but I bet it is:

"en" : electronegativity (Pauling). I notice that some values are not exact (for example H 2.10 instead of 2.20) but it may be on purpose.
"els" : number of electrons in the neutral atom on the outer shell
"valency" : possible number of bonds

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